(5Z)-5-benzylidene-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
Formula:C18H15NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C18H15NO3S |
| Smiles | O=C(/C(/S1)=C/c2ccccc2)N(CCOc2ccccc2)C1=O |
| InChI | InChI=1S/C18H15NO3S/c20-17-16(13-14-7-3-1-4-8-14)23-18(21)19(17)11-12-22-15-9-5-2-6-10-15/h1-10,13H,11-12H2 |
| InChIK | ZZYCTCAMRNPKOK-UHFFFAOYSA-N |
| TotalMolweight | 325.387 |
| Molweight | 325.387 |
| MonoisotopicMass | 325.077264 |
| CLogP | 3.1673 |
| CLogS | -4.037 |
| H Acceptors | 4 |
| TotalSurfaceArea | 245.04 |
| Relative PSA | 0.2331 |
| PolarSurfaceArea | 71.91 |
| Druglikeness | 4.6824 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-benzylidene-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-benzylidene-3-(2-phenoxyethyl)-1,3-thiazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off